2-(1H-pyrazin-4-yl)ethanol

C6H10N2O — CID 14440160

IUPAC2-(1H-pyrazin-4-yl)ethanol
SMILESOCCN1C=CNC=C1
InChIInChI=1S/C6H10N2O/c9-6-5-8-3-1-7-2-4-8/h1-4,7,9H,5-6H2
InChIKeyAVJUOCSCCSRKMD-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.17
Rot. Bonds2

About 2-(1H-pyrazin-4-yl)ethanol

2-(1H-pyrazin-4-yl)ethanol (PubChem CID 14440160) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-(1H-pyrazin-4-yl)ethanol.

Molecular Properties

Compound Name2-(1H-pyrazin-4-yl)ethanol
PubChem CID14440160
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-(1H-pyrazin-4-yl)ethanol
SMILESOCCN1C=CNC=C1
InChIInChI=1S/C6H10N2O/c9-6-5-8-3-1-7-2-4-8/h1-4,7,9H,5-6H2
InChIKeyAVJUOCSCCSRKMD-UHFFFAOYSA-N
XLogP-0.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazin-4-yl)ethanol?
The IUPAC name of 2-(1H-pyrazin-4-yl)ethanol (CID 14440160) is 2-(1H-pyrazin-4-yl)ethanol.
What is the SMILES notation for 2-(1H-pyrazin-4-yl)ethanol?
The canonical SMILES for 2-(1H-pyrazin-4-yl)ethanol is OCCN1C=CNC=C1.
What is the InChIKey of 2-(1H-pyrazin-4-yl)ethanol?
The InChIKey is AVJUOCSCCSRKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c9-6-5-8-3-1-7-2-4-8/h1-4,7,9H,5-6H2.
What are the key properties of 2-(1H-pyrazin-4-yl)ethanol?
2-(1H-pyrazin-4-yl)ethanol has a molecular weight of 126.16 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazin-4-yl)ethanol is sourced from PubChem (CID 14440160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).